1-Amino-3-methylbutan-2-one hydrochloride

Base Information

• Chemical Name: 1-Amino-3-methylbutan-2-one hydrochloride
• CAS No.: 21419-25-0
• Molecular Formula: C5H11NO.ClH
• Molecular Weight: 137.60800
• European Community (EC) Number: 848-946-0
• DSSTox Substance ID: DTXSID40539602
• Mol file: 21419-25-0.mol

Synonyms:21419-25-0;1-amino-3-methylbutan-2-one hydrochloride;1-amino-3-methylbutan-2-one;hydrochloride;1-Amino-3-methyl-2-butanone Hydrochloride;2-Butanone, 1-amino-3-methyl-, hydrochloride;SCHEMBL2826838;DTXSID40539602;isobutyrylmethylamine hydrochloride;INSIHEPGWOLTHR-UHFFFAOYSA-N;1-Amino-3-methyl-2-butanone HCl;MFCD18785537;AKOS026743746;AT23528;1-AMINO-3-METHYLBUTAN-2-ONE HCL;1-amino-3-methylbutan-2-onehydrochloride;SY186390;4-amino-2-methyl-3-butanone hydrochloride;EN300-75248;1-Amino-3-methylbutan-2-one--hydrogen chloride (1/1);F8888-3807

Chemical Property of 1-Amino-3-methylbutan-2-one hydrochloride

Chemical Property:

• Melting Point: 147-149 °C (decomp)
• PSA: 43.09000
• LogP: 1.67250
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 137.0607417
• Heavy Atom Count: 8
• Complexity: 68.5

Purity/Quality:

99% ^*data from raw suppliers

1-amino-3-methylbutan-2-onehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)CN.Cl

Technology Process of 1-Amino-3-methylbutan-2-one hydrochloride

There total 6 articles about 1-Amino-3-methylbutan-2-one hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

ethyl 5-isopropyl-1,3-oxazole-4-carboxylate (32968-46-0) → 1-amino-3-methyl-2-butanone monohydrochloride (21419-25-0)

Guidance literature:

With hydrogenchloride; In water; for 12h; Reflux;

Reference yield: 94.0%

(R)-N-tert-butanesulfinyl 3-methyl-2-oxobutylamine (1386376-86-8) → 1-amino-3-methyl-2-butanone monohydrochloride (21419-25-0)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; for 1h;

DOI:10.1021/jo300752c

Reference yield: 78.3%

4N-hydrochloric acid + 5-isopropyloxazole-4-carboxylic acid (89006-96-2) → 1-amino-3-methyl-2-butanone monohydrochloride (21419-25-0)

Guidance literature:

In acetone;

upstream raw materials:

tert-butyl (3-methyl-2-oxobutyl)carbamate

5-isopropyloxazole-4-carboxylic acid

(R)-N-tert-butanesulfinyl 2,2-dimethoxy-3-methylbutylamine

(R)-N-tert-butanesulfinyl 3-methyl-2-oxobutylamine

Downstream raw materials:

2-amino-N-(3-methyl-2-oxobutyl)-3-nitrobenzamide

tert-butyl (3-methyl-2-oxobutyl)carbamate